ethyl 2-(4-methoxyanilino)-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-methoxyanilino)-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-methoxyanilino)-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2361 |
| Compound Name: | ethyl 2-(4-methoxyanilino)-5-{[4-(methylsulfanyl)phenyl]methylidene}-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C22 H21 N O4 S2 |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2ccc(cc2)SC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6841 |
| logD: | 5.6601 |
| logSw: | -5.5372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | FEDLEKBKSTYWNV-UHFFFAOYSA-N |